CID 58463163

C22H35N3O8 — CID 58463163

IUPAC—
SMILES[CH]CCCCCCOC(=O)CCn1c(=O)[nH]c(=O)n(CCC(=O)OCCCCCCO)c1=O
InChIInChI=1S/C22H35N3O8/c1-2-3-4-6-9-16-32-18(27)11-13-24-20(29)23-21(30)25(22(24)31)14-12-19(28)33-17-10-7-5-8-15-26/h1,26H,2-17H2,(H,23,29,30)
InChIKeyGTBAXPXPGUGGRA-UHFFFAOYSA-N
MW469.54 g/mol
LogP0.78
Rot. Bonds18

About CID 58463163

CID 58463163 (PubChem CID 58463163) has the molecular formula C22H35N3O8 and a molecular weight of 469.54 g/mol.

Molecular Properties

Compound NameCID 58463163
PubChem CID58463163
Molecular FormulaC22H35N3O8
Molecular Weight469.54 g/mol
Exact Mass469.24
IUPAC Name—
SMILES[CH]CCCCCCOC(=O)CCn1c(=O)[nH]c(=O)n(CCC(=O)OCCCCCCO)c1=O
InChIInChI=1S/C22H35N3O8/c1-2-3-4-6-9-16-32-18(27)11-13-24-20(29)23-21(30)25(22(24)31)14-12-19(28)33-17-10-7-5-8-15-26/h1,26H,2-17H2,(H,23,29,30)
InChIKeyGTBAXPXPGUGGRA-UHFFFAOYSA-N
XLogP0.78
TPSA149.69 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 58463163?
The IUPAC name of CID 58463163 (CID 58463163) is not available.
What is the SMILES notation for CID 58463163?
The canonical SMILES for CID 58463163 is [CH]CCCCCCOC(=O)CCn1c(=O)[nH]c(=O)n(CCC(=O)OCCCCCCO)c1=O.
What is the InChIKey of CID 58463163?
The InChIKey is GTBAXPXPGUGGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O8/c1-2-3-4-6-9-16-32-18(27)11-13-24-20(29)23-21(30)25(22(24)31)14-12-19(28)33-17-10-7-5-8-15-26/h1,26H,2-17H2,(H,23,29,30).
What are the key properties of CID 58463163?
CID 58463163 has a molecular weight of 469.54 g/mol, XLogP of 0.78, 18 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58463163 is sourced from PubChem (CID 58463163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).